115 related articles for article (PubMed ID: 12227575)
1. What can we learn about electrode-chemisorbate bonding energetics from vibrational spectroscopy? An assessment from density functional theory.
Wasileski SA; Weaver MJ
Faraday Discuss; 2002; (121):285-300; discussion 331-64. PubMed ID: 12227575
[TBL] [Abstract][Full Text] [Related]
2. Field-dependent electrode-chemisorbate bonding: sensitivity of vibrational stark effect and binding energetics to nature of surface coordination.
Wasileski SA; Koper MT; Weaver MJ
J Am Chem Soc; 2002 Mar; 124(11):2796-805. PubMed ID: 11890832
[TBL] [Abstract][Full Text] [Related]
3. Periodic trends in electrode-chemisorbate bonding: benzonitrile on platinum-group and other noble metals as probed by surface-enhanced Raman spectroscopy combined with density functional theory.
Mrozek MF; Wasileski SA; Weaver MJ
J Am Chem Soc; 2001 Dec; 123(51):12817-25. PubMed ID: 11749539
[TBL] [Abstract][Full Text] [Related]
4. A band dispersion mechanism for Pt alloy compositional tuning of linear bound CO stretching frequencies.
Dimakis N; Iddir H; Díaz-Morales RR; Liu R; Bunker G; Chung EH; Smotkin ES
J Phys Chem B; 2005 Feb; 109(5):1839-48. PubMed ID: 16851166
[TBL] [Abstract][Full Text] [Related]
5. Electron density topological and adsorbate orbital analyses of water and carbon monoxide co-adsorption on platinum.
Dimakis N; Salas I; Gonzalez L; Loupe N; Smotkin ES
J Chem Phys; 2019 Jan; 150(2):024703. PubMed ID: 30646698
[TBL] [Abstract][Full Text] [Related]
6. First-principles descriptors of CO chemisorption on Ni and Cu surfaces.
Gameel KM; Sharafeldin IM; Allam NK
Phys Chem Chem Phys; 2019 Jun; 21(21):11476-11487. PubMed ID: 31112167
[TBL] [Abstract][Full Text] [Related]
7. Carbon monoxide adsorption on platinum-osmium and platinum-ruthenium-osmium mixed nanoparticles.
Dimakis N; Navarro NE; Smotkin ES
J Chem Phys; 2013 May; 138(17):174704. PubMed ID: 23656149
[TBL] [Abstract][Full Text] [Related]
8. A periodic density functional theory analysis of CO chemisorption on Pt(111) in the presence of uniform electric fields.
Deshlahra P; Wolf EE; Schneider WF
J Phys Chem A; 2009 Apr; 113(16):4125-33. PubMed ID: 19278213
[TBL] [Abstract][Full Text] [Related]
9. Detection and determination of the {Fe(NO)(2)} core vibrational features in dinitrosyl-iron complexes from experiment, normal coordinate analysis, and density functional theory: an avenue for probing the nitric oxide oxidation state.
Dai RJ; Ke SC
J Phys Chem B; 2007 Mar; 111(9):2335-46. PubMed ID: 17295535
[TBL] [Abstract][Full Text] [Related]
10. A structure-based analysis of the vibrational spectra of nitrosyl ligands in transition-metal coordination complexes and clusters.
De La Cruz C; Sheppard N
Spectrochim Acta A Mol Biomol Spectrosc; 2011 Jan; 78(1):7-28. PubMed ID: 21123107
[TBL] [Abstract][Full Text] [Related]
11. Unveiling CO adsorption on Cu surfaces: new insights from molecular orbital principles.
Gameel KM; Sharafeldin IM; Abourayya AU; Biby AH; Allam NK
Phys Chem Chem Phys; 2018 Oct; 20(40):25892-25900. PubMed ID: 30289135
[TBL] [Abstract][Full Text] [Related]
12. Adsorbate-adsorbate interactions and chemisorption at different coverages studied by accurate ab initio calculations: CO on transition metal surfaces.
Mason SE; Grinberg I; Rappe AM
J Phys Chem B; 2006 Mar; 110(8):3816-22. PubMed ID: 16494441
[TBL] [Abstract][Full Text] [Related]
13. Scaling relationships and theory for vibrational frequencies of adsorbates on transition metal surfaces.
Lansford JL; Mironenko AV; Vlachos DG
Nat Commun; 2017 Nov; 8(1):1842. PubMed ID: 29184074
[TBL] [Abstract][Full Text] [Related]
14. Theoretical investigation of CO interaction with copper sites in zeolites: periodic DFT and hybrid quantum mechanical/interatomic potential function study.
Bludský O; Silhan M; Nachtigall P; Bucko T; Benco L; Hafner J
J Phys Chem B; 2005 May; 109(19):9631-8. PubMed ID: 16852159
[TBL] [Abstract][Full Text] [Related]
15. Influence of dipole-dipole interactions on coverage-dependent adsorption: CO and NO on Pt(111).
Deshlahra P; Conway J; Wolf EE; Schneider WF
Langmuir; 2012 Jun; 28(22):8408-17. PubMed ID: 22545625
[TBL] [Abstract][Full Text] [Related]
16. Molecular Bonding of Predissociative CO on Fe(100): Molecular Orbital Perspective.
Li J; He X; Oguzie E; Peng C
Langmuir; 2019 Dec; 35(50):16407-16415. PubMed ID: 31750660
[TBL] [Abstract][Full Text] [Related]
17. An ab initio study of electrochemical vs. electromechanical properties: the case of CO adsorbed on a Pt(111) surface.
Mamatkulov M; Filhol JS
Phys Chem Chem Phys; 2011 May; 13(17):7675-84. PubMed ID: 21327203
[TBL] [Abstract][Full Text] [Related]
18. Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile.
Agarwal P; Bee S; Gupta A; Tandon P; Rastogi VK; Mishra S; Rawat P
Spectrochim Acta A Mol Biomol Spectrosc; 2014; 121():464-82. PubMed ID: 24287056
[TBL] [Abstract][Full Text] [Related]
19. Density-functional theory study of vibrational relaxation of CO stretching excitation on Si(100).
Sakong S; Kratzer P; Han X; Lass K; Weingart O; Hasselbrink E
J Chem Phys; 2008 Nov; 129(17):174702. PubMed ID: 19045365
[TBL] [Abstract][Full Text] [Related]
20. A density functional theory study of vibrational coupling in the amide I band of beta-sheet models.
Viswanathan R; Dannenberg JJ
J Phys Chem B; 2008 Apr; 112(16):5199-208. PubMed ID: 18386875
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
